Detail information of Zn4P3H10C2NO13

Structure

Basic information

Pretty formulaZn4P3H10C2NO13
Full formulaZn16P12H40C8N4O52
TagsEthylammonium aquatris(phosphato(V))tetrazincate
Constituent elementsC; H; N; O; P; Zn;
Number of elements6
Number of sites132
Volume1,457.17504 Å3
Density2.78352 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a5.349 Å b15.414 Å c17.689 Å
α90.000° β92.372° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-759.31989 eV -5.75242 eV -1.65736 eV 3.70430 eV 0.00000 eV 0.02102 eV